6-amino-2-(cyclopropylmethoxy)-3,4-dimethylphenol

C12H17NO2 — CID 84675296

IUPAC6-amino-2-(cyclopropylmethoxy)-3,4-dimethylphenol
SMILESCc1cc(N)c(O)c(OCC2CC2)c1C
InChIInChI=1S/C12H17NO2/c1-7-5-10(13)11(14)12(8(7)2)15-6-9-3-4-9/h5,9,14H,3-4,6,13H2,1-2H3
InChIKeyMHSBDSJYQBUAEP-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.38
Rot. Bonds3

About 6-amino-2-(cyclopropylmethoxy)-3,4-dimethylphenol

6-amino-2-(cyclopropylmethoxy)-3,4-dimethylphenol (PubChem CID 84675296) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 6-amino-2-(cyclopropylmethoxy)-3,4-dimethylphenol.

Molecular Properties

Compound Name6-amino-2-(cyclopropylmethoxy)-3,4-dimethylphenol
PubChem CID84675296
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name6-amino-2-(cyclopropylmethoxy)-3,4-dimethylphenol
SMILESCc1cc(N)c(O)c(OCC2CC2)c1C
InChIInChI=1S/C12H17NO2/c1-7-5-10(13)11(14)12(8(7)2)15-6-9-3-4-9/h5,9,14H,3-4,6,13H2,1-2H3
InChIKeyMHSBDSJYQBUAEP-UHFFFAOYSA-N
XLogP2.38
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol
CID 84686875
2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethanol
CID 117314647
4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline
CID 146356134
2-(cyclobutylmethoxy)-3,5-dimethylphenol
CID 84674450
4-bromo-5-(cyclopropylmethoxy)-2-methylaniline
CID 121221486
1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-ol
CID 117336720
1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine
CID 84794783
4-(cyclopentylmethoxy)-2-methylaniline
CID 26190241
5-chloro-4-(cyclopropylmethoxy)-2-methylaniline
CID 130549167
ethyl 2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]-2-oxoacetate
CID 117442405
O-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine
CID 117343414
6-amino-2,3-dimethoxy-4-methylphenol
CID 84658981

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(cyclopropylmethoxy)-3,4-dimethylphenol?
The IUPAC name of 6-amino-2-(cyclopropylmethoxy)-3,4-dimethylphenol (CID 84675296) is 6-amino-2-(cyclopropylmethoxy)-3,4-dimethylphenol.
What is the SMILES notation for 6-amino-2-(cyclopropylmethoxy)-3,4-dimethylphenol?
The canonical SMILES for 6-amino-2-(cyclopropylmethoxy)-3,4-dimethylphenol is Cc1cc(N)c(O)c(OCC2CC2)c1C.
What is the InChIKey of 6-amino-2-(cyclopropylmethoxy)-3,4-dimethylphenol?
The InChIKey is MHSBDSJYQBUAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-7-5-10(13)11(14)12(8(7)2)15-6-9-3-4-9/h5,9,14H,3-4,6,13H2,1-2H3.
What are the key properties of 6-amino-2-(cyclopropylmethoxy)-3,4-dimethylphenol?
6-amino-2-(cyclopropylmethoxy)-3,4-dimethylphenol has a molecular weight of 207.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(cyclopropylmethoxy)-3,4-dimethylphenol is sourced from PubChem (CID 84675296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).